[1-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate
Formula:C26H17N2O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate |
| MolecularFormula | C26H17N2O5Cl |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c(c1ccccc1cc1)c1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C26H17ClN2O5/c27-21-8-4-3-7-19(21)26(31)34-22-11-9-16-5-1-2-6-18(16)20(22)14-28-29-25(30)17-10-12-23-24(13-17)33-15-32-23/h1-14H,15H2,(H,29,30) |
| InChIK | UNSMGTMNHCCZLS-UHFFFAOYSA-N |
| TotalMolweight | 472.883 |
| Molweight | 472.883 |
| MonoisotopicMass | 472.0826 |
| CLogP | 6.5439 |
| CLogS | -8.244 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 344.78 |
| Relative PSA | 0.22928 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | 4.0013 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [1-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate | 2 - [1-[(Z)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2-chlorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off